Information card for entry 4517039

Structure parameters

• Formula: C20 H22 N2 O10
• Calculated formula: C20 H18 N2 O10
• Title of publication: Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions
• Authors of publication: Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4880
• a: 8.31 ± 0.0002 Å
• b: 8.561 ± 0.0002 Å
• c: 13.769 ± 0.0004 Å
• α: 85.77 ± 0.001°
• β: 89.028 ± 0.002°
• γ: 84.406 ± 0.001°
• Cell volume: 972.19 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1917
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No